ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

C140H234N8O7S — CID 165063389

IUPACethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(CCNC2)C1.CC(C)C1CCCN1.CC(C)C1CCNCC1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)C2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)N1CCN=C1S2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H14N2S.C12H17N.C12H14O.C12H16O.C12H16.C11H11NO2.C11H13NO.C10H19N.C10H12O2.C8H17N.C7H15N.11C2H6.CH4/c1-8(2)9-3-4-11-10(7-9)14-6-5-13-12(14)15-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;11*1-2;/h3-4,7-8H,5-6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);8-9,11H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;11*1-2H3;1H4
InChIKeyROKVSFWVLHTTNF-UHFFFAOYSA-N
MW2173.53 g/mol
LogP38.70
Rot. Bonds11

About ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline

ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 165063389) has the molecular formula C140H234N8O7S and a molecular weight of 2173.53 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID165063389
Molecular FormulaC140H234N8O7S
Molecular Weight2173.53 g/mol
Exact Mass2171.79
IUPAC Nameethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(CCNC2)C1.CC(C)C1CCCN1.CC(C)C1CCNCC1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)C2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)N1CCN=C1S2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H14N2S.C12H17N.C12H14O.C12H16O.C12H16.C11H11NO2.C11H13NO.C10H19N.C10H12O2.C8H17N.C7H15N.11C2H6.CH4/c1-8(2)9-3-4-11-10(7-9)14-6-5-13-12(14)15-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;11*1-2;/h3-4,7-8H,5-6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);8-9,11H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;11*1-2H3;1H4
InChIKeyROKVSFWVLHTTNF-UHFFFAOYSA-N
XLogP38.70
TPSA183.75 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002173.53
LogP ≤ 538.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 165042109

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 165063389) is ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(CCNC2)C1.CC(C)C1CCCN1.CC(C)C1CCNCC1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)C2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)N1CCN=C1S2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NCCC2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ROKVSFWVLHTTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S.C12H17N.C12H14O.C12H16O.C12H16.C11H11NO2.C11H13NO.C10H19N.C10H12O2.C8H17N.C7H15N.11C2H6.CH4/c1-8(2)9-3-4-11-10(7-9)14-6-5-13-12(14)15-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;11*1-2;/h3-4,7-8H,5-6H2,1-2H3;5-6,8-9,13H,3-4,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);8-9,11H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;11*1-2H3;1H4.
What are the key properties of ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline?
ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2173.53 g/mol, XLogP of 38.70, 11 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 165063389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).